COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.141   0.573  -0.639  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.418   2.048  -0.175  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.047   2.006   0.505  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.018   0.851   1.114  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.561   1.013   1.553  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.222  -0.052   2.598  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.657  -3.578  -1.304  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.896  -1.663  -1.663  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.697  -1.380  -1.057  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.544  -2.775  -1.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.634  -1.894  -0.474  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.368  -1.442   1.976  1.00  0.00           C  
HETATM   13  C   UNL     1       1.156   1.279   0.772  1.00  0.00           C  
HETATM   14  C   UNL     1       2.222   1.051  -0.301  1.00  0.00           C  
HETATM   15  C   UNL     1       4.633   1.305  -0.546  1.00  0.00           C  
HETATM   16  C   UNL     1       5.984   1.689  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       7.051   1.460  -1.074  1.00  0.00           C  
HETATM   18  C   UNL     1       9.462   1.714  -1.318  1.00  0.00           C  
HETATM   19  C   UNL     1      10.826   1.991  -0.739  1.00  0.00           C  
HETATM   20  C   UNL     1      11.208   0.865   0.224  1.00  0.00           C  
HETATM   21  C   UNL     1      12.556   1.186   0.874  1.00  0.00           C  
HETATM   22  C   UNL     1      10.137   0.737   1.309  1.00  0.00           C  
HETATM   23  C   UNL     1      11.314  -0.452  -0.547  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.518   2.346   0.867  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.474   1.133   0.767  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.566  -4.958  -1.266  1.00  0.00           N  
HETATM   27  N   UNL     1     -12.800  -2.980  -1.624  1.00  0.00           N  
HETATM   28  N   UNL     1     -11.880  -0.873  -1.392  1.00  0.00           N  
HETATM   29  N   UNL     1      -9.262  -3.021  -0.640  1.00  0.00           N  
HETATM   30  N   UNL     1      -9.477  -0.851  -0.720  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.005   1.826  -0.509  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.139   0.073   3.739  1.00  0.00           N  
HETATM   33  N   UNL     1       3.536   1.424   0.228  1.00  0.00           N  
HETATM   34  N   UNL     1       8.365   1.833  -0.544  1.00  0.00           N  
HETATM   35  O   UNL     1      -7.715   0.766  -0.754  1.00  0.00           O  
HETATM   36  O   UNL     1      11.786   2.061  -1.795  1.00  0.00           O  
HETATM   37  O   UNL     1      11.672  -1.503   0.353  1.00  0.00           O  
HETATM   38  O   UNL     1      10.651  -3.494  -0.815  1.00  0.00           O  
HETATM   39  O   UNL     1      13.130  -3.124  -1.117  1.00  0.00           O  
HETATM   40  O   UNL     1       9.351   1.385  -2.480  1.00  0.00           O  
HETATM   41  O   UNL     1       4.532   0.889  -1.681  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.430   3.406   0.464  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.716   1.865  -1.336  1.00  0.00           O  
HETATM   44  O   UNL     1      -9.205   3.554   0.536  1.00  0.00           O  
HETATM   45  O   UNL     1     -10.838   1.552   0.839  1.00  0.00           O  
HETATM   46  P   UNL     1      11.871  -3.030  -0.117  1.00  0.00           P  
HETATM   47  S   UNL     1      -3.420   2.113  -0.126  1.00  0.00           S  
HETATM   48  S   UNL     1      -0.966  -2.704   3.215  1.00  0.00           S  
HETATM   49  S   UNL     1      -0.471   0.817   0.116  1.00  0.00           S  
HETATM   50  H   UNL     1      -9.668   1.134  -1.411  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.424   2.815  -0.949  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.878   2.941   1.038  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.016   1.175   1.209  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.159  -0.140   0.682  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.673   0.968   1.977  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.419   2.003   1.984  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.196   0.087   2.939  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.844  -1.219  -1.927  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.598  -1.798  -0.185  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.394  -1.582   1.635  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.688  -1.535   1.129  1.00  0.00           H  
HETATM   62  H   UNL     1       1.382   0.668   1.645  1.00  0.00           H  
HETATM   63  H   UNL     1       1.147   2.331   1.057  1.00  0.00           H  
HETATM   64  H   UNL     1       2.231  -0.002  -0.587  1.00  0.00           H  
HETATM   65  H   UNL     1       1.995   1.662  -1.175  1.00  0.00           H  
HETATM   66  H   UNL     1       5.976   2.741   0.284  1.00  0.00           H  
HETATM   67  H   UNL     1       6.211   1.077   0.873  1.00  0.00           H  
HETATM   68  H   UNL     1       7.059   0.408  -1.359  1.00  0.00           H  
HETATM   69  H   UNL     1       6.824   2.071  -1.947  1.00  0.00           H  
HETATM   70  H   UNL     1      10.807   2.939  -0.201  1.00  0.00           H  
HETATM   71  H   UNL     1      12.458   2.078   1.492  1.00  0.00           H  
HETATM   72  H   UNL     1      12.870   0.347   1.494  1.00  0.00           H  
HETATM   73  H   UNL     1      13.300   1.363   0.097  1.00  0.00           H  
HETATM   74  H   UNL     1       9.204   0.398   0.860  1.00  0.00           H  
HETATM   75  H   UNL     1      10.463   0.014   2.057  1.00  0.00           H  
HETATM   76  H   UNL     1       9.982   1.706   1.783  1.00  0.00           H  
HETATM   77  H   UNL     1      10.354  -0.680  -1.009  1.00  0.00           H  
HETATM   78  H   UNL     1      12.078  -0.360  -1.320  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.088   2.412   1.867  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.253   0.398   1.541  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.342  -5.501  -1.474  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.726  -5.382  -1.032  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.243   1.539  -1.404  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.123   1.009   4.115  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.077  -0.197   3.480  1.00  0.00           H  
HETATM   86  H   UNL     1       3.616   1.756   1.136  1.00  0.00           H  
HETATM   87  H   UNL     1       8.445   2.166   0.364  1.00  0.00           H  
HETATM   88  H   UNL     1      11.856   1.250  -2.317  1.00  0.00           H  
HETATM   89  H   UNL     1      12.268  -4.893   0.962  1.00  0.00           H  
HETATM   90  H   UNL     1      13.965  -2.834  -0.726  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.908   3.790   1.158  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.072   1.991   1.668  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.135  -3.856   2.540  1.00  0.00           H  
HETATM   94  O   UNL     1      12.139  -3.957   1.171  1.00  0.00           O  
CONECT    1   25   35   30   50                                       
CONECT    2    3   24   35   51                                       
CONECT    3   31    2   52   53                                       
CONECT    4    5   47   54   55                                       
CONECT    5    6    4   49   56                                       
CONECT    6   12    5   32   57                                       
CONECT    7   10   26   27   27                                       
CONECT    8   28   28   27   58                                       
CONECT    9   30   10   10   28                                       
CONECT   10   29    9    9    7                                       
CONECT   11   30   29   29   59                                       
CONECT   12   48    6   60   61                                       
CONECT   13   49   14   62   63                                       
CONECT   14   13   33   64   65                                       
CONECT   15   33   16   41   41                                       
CONECT   16   15   17   66   67                                       
CONECT   17   16   34   68   69                                       
CONECT   18   34   40   40   19                                       
CONECT   19   18   36   20   70                                       
CONECT   20   21   19   23   22                                       
CONECT   21   20   71   72   73                                       
CONECT   22   20   74   75   76                                       
CONECT   23   20   37   77   78                                       
CONECT   24   44    2   25   79                                       
CONECT   25   24   45    1   80                                       
CONECT   26    7   81   82                                            
CONECT   27    7    7    8                                            
CONECT   28    9    8    8                                            
CONECT   29   11   11   10                                            
CONECT   30    1   11    9                                            
CONECT   31    3   47   83                                            
CONECT   32    6   84   85                                            
CONECT   33   14   15   86                                            
CONECT   34   17   18   87                                            
CONECT   35    2    1                                                 
CONECT   36   19   88                                                 
CONECT   37   23   46                                                 
CONECT   38   46   46                                                 
CONECT   39   46   90                                                 
CONECT   40   18   18                                                 
CONECT   41   15   15                                                 
CONECT   42   47   47                                                 
CONECT   43   47   47                                                 
CONECT   44   24   91                                                 
CONECT   45   25   92                                                 
CONECT   46   39   38   38   37                                       
CONECT   46   94                                                      
CONECT   47   43   43    4   31                                       
CONECT   47   42   42                                                 
CONECT   48   12   93                                                 
CONECT   49    5   13                                                 
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   94                                                      
CONECT   90   39                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   46   89                                                 
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
